4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C12H8F3N5O — CID 70225678

IUPAC4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc(C#N)cc(C(F)(F)F)n2)n1
InChIInChI=1S/C12H8F3N5O/c1-20-3-2-10(19-20)18-11(21)8-4-7(6-16)5-9(17-8)12(13,14)15/h2-5H,1H3,(H,18,19,21)
InChIKeyGEALHBHKCNKSOV-UHFFFAOYSA-N
MW295.22 g/mol
LogP1.96
Rot. Bonds2

About 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 70225678) has the molecular formula C12H8F3N5O and a molecular weight of 295.22 g/mol. Its IUPAC name is 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID70225678
Molecular FormulaC12H8F3N5O
Molecular Weight295.22 g/mol
Exact Mass295.07
IUPAC Name4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc(C#N)cc(C(F)(F)F)n2)n1
InChIInChI=1S/C12H8F3N5O/c1-20-3-2-10(19-20)18-11(21)8-4-7(6-16)5-9(17-8)12(13,14)15/h2-5H,1H3,(H,18,19,21)
InChIKeyGEALHBHKCNKSOV-UHFFFAOYSA-N
XLogP1.96
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 52946747
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CID 118560699
US10344025, Example 259
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US10344025, Example 268
CID 118627417
US10344025, Example 210
CID 118640575
N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 140629026
N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
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1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
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4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
CID 4169668

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 70225678) is 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1ccc(NC(=O)c2cc(C#N)cc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GEALHBHKCNKSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O/c1-20-3-2-10(19-20)18-11(21)8-4-7(6-16)5-9(17-8)12(13,14)15/h2-5H,1H3,(H,18,19,21).
What are the key properties of 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 295.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 70225678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).